(2-cyanophenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-cyanophenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-cyanophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-cyanobenzyl) ester Formula: C19H20BrNO2 MolecularWeight: 374.2716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C19H20BrNO2/c20-19-8-13-5-14(9-19)7-18(6-13,12-19)17(22)23-11-16-4-2-1-3-15(16)10-21/h1-4,13-14H,5-9,11-12H2/t13-,14+,18?,19?